3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoyl-piperazin-1-yl)ethyl]quinazolin-4-one

Systemtic Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoyl-piperazin-1-yl)ethyl]quinazolin-4-one Openeye Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoyl-piperazin-1-yl)ethyl]quinazolin-4-one CAS Name: 3-(4-bromophenyl)-2-[1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]ethyl]-4-quinazolinone IUPAC Name: 3-(4-bromophenyl)-2-[1-(3-methyl-4-octanoylpiperazin-1-yl)ethyl]quinazolin-4-one Traditional Name: 3-(4-bromophenyl)-2-[1-(4-caprylyl-3-methyl-piperazino)ethyl]quinazolin-4-one Formula: C29H37BrN4O2 MolecularWeight: 553.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(C)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

InChI

InChI=1S/C29H37BrN4O2/c1-4-5-6-7-8-13-27(35)33-19-18-32(20-21(33)2)22(3)28-31-26-12-10-9-11-25(26)29(36)34(28)24-16-14-23(30)15-17-24/h9-12,14-17,21-22H,4-8,13,18-20H2,1-3H3